SCHEMBL24310731

SCHEMBL24310731

Cc1ccccc1-c1nc(NS(=O)(=O)c2cnn(C)c2)nc(Oc2cccc(C3CCN(C)CC3)c2F)c1C(F)F

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HTR1A P08908 7/20 0.37
▸ HTR7 P34969 7/20 0.37
▸ DRD2 P14416 3/20 0.35
▸ HTR6 P50406 2/20 0.35
▸ SCN9A Q15858 4/20 0.33
▸ HTR1F P30939 1/20 0.33
▸ PCK1 P35558 1/20 0.32
▸ HTR2A P28223 3/20 0.32
▸ ALK Q9UM73 4/20 0.32
▸ INSR P06213 2/20 0.31
▸ HTR2B P41595 1/20 0.31
▸ KCNH2 Q12809 1/20 0.31
▸ BRD4 O60885 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL29567870 1.00 HTR1A (0.37) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL24310107 0.88 HTR1A (0.36) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL29566869 0.88 HTR1A (0.36) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL29566854 0.87 SCN9A (0.37) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL24309867 0.87 SCN9A (0.37) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL29566574 0.87 HTR1A (0.34) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL26808972 0.87 HTR1A (0.34) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL26808948 0.86 HTR1A (0.35) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL29566912 0.86 HTR1A (0.35) HTR1AHTR7DRD2HTR6SCN9A
SCHEMBL24310734 0.84 — —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS, SAN DIEGO 2023-11-23 — — US disclosed
WO-2022076627-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR VERTEX PHARMACEUTICALS INCORPORATED (US) 2022-04-14 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230373935-A1 MODULATORS OF CYSTIC FIBROSIS TRANSMEMBRANE CONDUCTANCE REGULATOR CFTR, SCNN1G, SCNN1B HTR1A 4018/4885HTR7 3833/4885DRD2 4505/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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